Generated using ld1 code Author: Brandon Wood (Materials Science, MIT) Generation date: Feb. 2002 Info: automatically converted from PWSCF format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 0.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 6S 0 0 0.50 0.00000000000 0.00000000000 0.00000000000 6P 0 1 0.05 0.00000000000 0.00000000000 0.00000000000 5D 0 2 0.05 0.00000000000 0.00000000000 0.00000000000 0 Version Number Cs Element NC Norm - Conserving pseudopotential T Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 1.00000000000 Z valence 0.00000000000 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 537 Number of points in mesh 3 2 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 6S 0 0.50 6P 1 0.05 5D 2 0.05 6.09932050732E-06 6.28507247080E-06 6.47648142376E-06 6.67371964718E-06 6.87696466878E-06 7.08639942278E-06 7.30221241461E-06 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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 2 Number of nonzero Dij 1 1 4.65425708577E+01 2 2 -1.80816446476E+00 6S 0 0.50 Wavefunction 2.43833160000E-07 2.51258990000E-07 2.58910960000E-07 2.66795980000E-07 2.74921120000E-07 2.83293720000E-07 2.91921300000E-07 3.00811620000E-07 3.09972700000E-07 3.19412770000E-07 3.29140340000E-07 3.39164160000E-07 3.49493240000E-07 3.60136900000E-07 3.71104700000E-07 3.82406520000E-07 3.94052530000E-07 4.06053220000E-07 4.18419380000E-07 4.31162150000E-07 4.44292990000E-07 4.57823720000E-07 4.71766530000E-07 4.86133960000E-07 5.00938950000E-07 5.16194810000E-07 5.31915280000E-07 5.48114510000E-07 5.64807080000E-07 5.82008020000E-07 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9.49933090000E-02 1.00131650000E-01 1.05647240000E-01 1.11571240000E-01 1.17936800000E-01 1.24778880000E-01 1.32134040000E-01 1.40040080000E-01 1.48535490000E-01 1.57658730000E-01 1.67447250000E-01 1.77936230000E-01 1.89156970000E-01 2.01134910000E-01 2.13887260000E-01 2.27420210000E-01 2.41725710000E-01 2.56778040000E-01 2.72530090000E-01 2.88909750000E-01 3.05816630000E-01 3.23119550000E-01 3.40655250000E-01 3.58228930000E-01 3.75617150000E-01 3.92573440000E-01 4.08837000000E-01 4.24144100000E-01 4.38241780000E-01 4.50902220000E-01 4.61936280000E-01 4.71203430000E-01 4.78615870000E-01 4.84134430000E-01 4.87755740000E-01 4.89497020000E-01 4.89390560000E-01 4.87481840000E-01 4.83826510000E-01 4.78486780000E-01 4.71528620000E-01 4.63020730000E-01 4.53035940000E-01 4.41654350000E-01 4.28967020000E-01 4.15078640000E-01 4.00108540000E-01 3.84189480000E-01 3.67464800000E-01 3.50084440000E-01 3.32200860000E-01 3.13965120000E-01 2.95523970000E-01 2.77017620000E-01 2.58578330000E-01 2.40329520000E-01 2.22385410000E-01 2.04850740000E-01 1.87820740000E-01 1.71380990000E-01 1.55607210000E-01 1.40565060000E-01 1.26309760000E-01 1.12885720000E-01 1.00326270000E-01 8.86534300000E-02 7.78778940000E-02 6.79992800000E-02 5.90065910000E-02 5.08789580000E-02 4.35866180000E-02 3.70920910000E-02 3.13514860000E-02 2.63159080000E-02 2.19328730000E-02 1.81477000000E-02 1.49048140000E-02 1.21489350000E-02 9.82611220000E-03 7.88459650000E-03 6.27553670000E-03 4.95350010000E-03 3.87682750000E-03 3.00783330000E-03 2.31287010000E-03 1.76227700000E-03 1.33023230000E-03 9.94531280000E-04 7.36328830000E-04 5.39741910000E-04 3.91831050000E-04 2.81625970000E-04 2.00159160000E-04 1.40596670000E-04 9.76049870000E-05 6.69531880000E-05 4.53644310000E-05 3.03488590000E-05 2.00393940000E-05 1.30547770000E-05 8.38723600000E-06 5.31188970000E-06 3.31489960000E-06 2.03745110000E-06 1.23281400000E-06 7.33994800000E-07 4.29792010000E-07 2.47383920000E-07 1.39895250000E-07 7.76812040000E-08 4.23316990000E-08 2.26255660000E-08 1.18537520000E-08 6.08366300000E-09 3.05664820000E-09 1.50248820000E-09 7.21962340000E-10 3.38898480000E-10 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 6P 1 0.05 Wavefunction 6.28394030000E-13 6.67251740000E-13 7.08512290000E-13 7.52324240000E-13 7.98845370000E-13 8.48243210000E-13 9.00695640000E-13 9.56391550000E-13 1.01553150000E-12 1.07832850000E-12 1.14500860000E-12 1.21581190000E-12 1.29099360000E-12 1.37082410000E-12 1.45559120000E-12 1.54559990000E-12 1.64117450000E-12 1.74265900000E-12 1.85041900000E-12 1.96484260000E-12 2.08634160000E-12 2.21535380000E-12 2.35234360000E-12 2.49780440000E-12 2.65226000000E-12 2.81626660000E-12 2.99041480000E-12 3.17533180000E-12 3.37168330000E-12 3.58017660000E-12 3.80156230000E-12 4.03663780000E-12 4.28624960000E-12 4.55129640000E-12 4.83273290000E-12 5.13157240000E-12 5.44889110000E-12 5.78583170000E-12 6.14360760000E-12 6.52350700000E-12 6.92689820000E-12 7.35523360000E-12 7.81005590000E-12 8.29300280000E-12 8.80581340000E-12 9.35033450000E-12 9.92852690000E-12 1.05424730000E-11 1.11943830000E-11 1.18866050000E-11 1.26216310000E-11 1.34021100000E-11 1.42308500000E-11 1.51108360000E-11 1.60452380000E-11 1.70374200000E-11 1.80909560000E-11 1.92096380000E-11 2.03974950000E-11 2.16588060000E-11 2.29981120000E-11 2.44202360000E-11 2.59302990000E-11 2.75337390000E-11 2.92363300000E-11 3.10442040000E-11 3.29638700000E-11 3.50022420000E-11 3.71666600000E-11 3.94649180000E-11 4.19052920000E-11 4.44965710000E-11 4.72480850000E-11 5.01697430000E-11 5.32720670000E-11 5.65662280000E-11 6.00640880000E-11 6.37782430000E-11 6.77220700000E-11 7.19097690000E-11 7.63564200000E-11 8.10780380000E-11 8.60916240000E-11 9.14152320000E-11 9.70680350000E-11 1.03070390000E-10 1.09443900000E-10 1.16211540000E-10 1.23397660000E-10 1.31028140000E-10 1.39130470000E-10 1.47733820000E-10 1.56869170000E-10 1.66569410000E-10 1.76869490000E-10 1.87806490000E-10 1.99419790000E-10 2.11751230000E-10 2.24845190000E-10 2.38748840000E-10 2.53512240000E-10 2.69188570000E-10 2.85834260000E-10 3.03509260000E-10 3.22277220000E-10 3.42205740000E-10 3.63366560000E-10 3.85835890000E-10 4.09694650000E-10 4.35028750000E-10 4.61929430000E-10 4.90493550000E-10 5.20823970000E-10 5.53029930000E-10 5.87227390000E-10 6.23539500000E-10 6.62097030000E-10 7.03038830000E-10 7.46512320000E-10 7.92674060000E-10 8.41690290000E-10 8.93737510000E-10 9.49003150000E-10 1.00768620000E-09 1.06999810000E-09 1.13616310000E-09 1.20641950000E-09 1.28102030000E-09 1.36023410000E-09 1.44434630000E-09 1.53365970000E-09 1.62849590000E-09 1.72919650000E-09 1.83612400000E-09 1.94966360000E-09 2.07022410000E-09 2.19823960000E-09 2.33417110000E-09 2.47850820000E-09 2.63177060000E-09 2.79451020000E-09 2.96731300000E-09 3.15080140000E-09 3.34563610000E-09 3.55251870000E-09 3.77219420000E-09 4.00545360000E-09 4.25313710000E-09 4.51613640000E-09 4.79539870000E-09 5.09192960000E-09 5.40679690000E-09 5.74113450000E-09 6.09614650000E-09 6.47311110000E-09 6.87338600000E-09 7.29841240000E-09 7.74972100000E-09 8.22893700000E-09 8.73778610000E-09 9.27810060000E-09 9.85182630000E-09 1.04610290000E-08 1.11079030000E-08 1.17947780000E-08 1.25241260000E-08 1.32985750000E-08 1.41209120000E-08 1.49941010000E-08 1.59212840000E-08 1.69058020000E-08 1.79511980000E-08 1.90612380000E-08 2.02399190000E-08 2.14914860000E-08 2.28204450000E-08 2.42315830000E-08 2.57299800000E-08 2.73210340000E-08 2.90104720000E-08 3.08043790000E-08 3.27092160000E-08 3.47318410000E-08 3.68795380000E-08 3.91600410000E-08 4.15815630000E-08 4.41528240000E-08 4.68830820000E-08 4.97821700000E-08 5.28605280000E-08 5.61292400000E-08 5.96000790000E-08 6.32855420000E-08 6.71989020000E-08 7.13542500000E-08 7.57665510000E-08 8.04516930000E-08 8.54265480000E-08 9.07090310000E-08 9.63181650000E-08 1.02274150000E-07 1.08598430000E-07 1.15313780000E-07 1.22444390000E-07 1.30015930000E-07 1.38055660000E-07 1.46592550000E-07 1.55657330000E-07 1.65282640000E-07 1.75503150000E-07 1.86355660000E-07 1.97879250000E-07 2.10115430000E-07 2.23108240000E-07 2.36904490000E-07 2.51553850000E-07 2.67109070000E-07 2.83626180000E-07 3.01164650000E-07 3.19787630000E-07 3.39562200000E-07 3.60559560000E-07 3.82855330000E-07 4.06529790000E-07 4.31668200000E-07 4.58361080000E-07 4.86704560000E-07 5.16800700000E-07 5.48757890000E-07 5.82691200000E-07 6.18722830000E-07 6.56982540000E-07 6.97608090000E-07 7.40745800000E-07 7.86550990000E-07 8.35188630000E-07 8.86833850000E-07 9.41672640000E-07 9.99902480000E-07 1.06173310000E-06 1.12738700000E-06 1.19710080000E-06 1.27112550000E-06 1.34972760000E-06 1.43319020000E-06 1.52181390000E-06 1.61591770000E-06 1.71584060000E-06 1.82194250000E-06 1.93460530000E-06 2.05423480000E-06 2.18126190000E-06 2.31614390000E-06 2.45936650000E-06 2.61144560000E-06 2.77292880000E-06 2.94439760000E-06 3.12646950000E-06 3.31980010000E-06 3.52508580000E-06 3.74306560000E-06 3.97452470000E-06 4.22029660000E-06 4.48126620000E-06 4.75837340000E-06 5.05261620000E-06 5.36505400000E-06 5.69681210000E-06 6.04908530000E-06 6.42314200000E-06 6.82032940000E-06 7.24207780000E-06 7.68990600000E-06 8.16542670000E-06 8.67035250000E-06 9.20650170000E-06 9.77580500000E-06 1.03803130000E-05 1.10222020000E-05 1.17037840000E-05 1.24275140000E-05 1.31959980000E-05 1.40120030000E-05 1.48784680000E-05 1.57985150000E-05 1.67754550000E-05 1.78128080000E-05 1.89143100000E-05 2.00839270000E-05 2.13258720000E-05 2.26446170000E-05 2.40449130000E-05 2.55318010000E-05 2.71106390000E-05 2.87871110000E-05 3.05672560000E-05 3.24574850000E-05 3.44646070000E-05 3.65958500000E-05 3.88588910000E-05 4.12618810000E-05 4.38134750000E-05 4.65228640000E-05 4.93998060000E-05 5.24546650000E-05 5.56984450000E-05 5.91428300000E-05 6.28002270000E-05 6.66838120000E-05 7.08075740000E-05 7.51863690000E-05 7.98359720000E-05 8.47731340000E-05 9.00156410000E-05 9.55823810000E-05 1.01493410000E-04 1.07770030000E-04 1.14434850000E-04 1.21511890000E-04 1.29026640000E-04 1.37006200000E-04 1.45479310000E-04 1.54476510000E-04 1.64030230000E-04 1.74174900000E-04 1.84947090000E-04 1.96385620000E-04 2.08531730000E-04 2.21429210000E-04 2.35124560000E-04 2.49667150000E-04 2.65109430000E-04 2.81507070000E-04 2.98919230000E-04 3.17408700000E-04 3.37042170000E-04 3.57890480000E-04 3.80028840000E-04 4.03537130000E-04 4.28500200000E-04 4.55008130000E-04 4.83156620000E-04 5.13047300000E-04 5.44788080000E-04 5.78493610000E-04 6.14285640000E-04 6.52293460000E-04 6.92654430000E-04 7.35514430000E-04 7.81028390000E-04 8.29360890000E-04 8.80686740000E-04 9.35191650000E-04 9.93072860000E-04 1.05453990000E-03 1.11981530000E-03 1.18913560000E-03 1.26275200000E-03 1.34093140000E-03 1.42395710000E-03 1.51213060000E-03 1.60577190000E-03 1.70522100000E-03 1.81083930000E-03 1.92301080000E-03 2.04214350000E-03 2.16867100000E-03 2.30305430000E-03 2.44578310000E-03 2.59737810000E-03 2.75839260000E-03 2.92941490000E-03 3.11107040000E-03 3.30402400000E-03 3.50898260000E-03 3.72669800000E-03 3.95796950000E-03 4.20364730000E-03 4.46463560000E-03 4.74189650000E-03 5.03645300000E-03 5.34939400000E-03 5.68187810000E-03 6.03513800000E-03 6.41048610000E-03 6.80931920000E-03 7.23312460000E-03 7.68348590000E-03 8.16208960000E-03 8.67073200000E-03 9.21132720000E-03 9.78591420000E-03 1.03966670000E-02 1.10459010000E-02 1.17360880000E-02 1.24698600000E-02 1.32500290000E-02 1.40795910000E-02 1.49617460000E-02 1.58999080000E-02 1.68977220000E-02 1.79590830000E-02 1.90881470000E-02 2.02893590000E-02 2.15674680000E-02 2.29275480000E-02 2.43750280000E-02 2.59157100000E-02 2.75558030000E-02 2.93019460000E-02 3.11612440000E-02 3.31412990000E-02 3.52502430000E-02 3.74967760000E-02 3.98902060000E-02 4.24404860000E-02 4.51582570000E-02 4.80548850000E-02 5.11425060000E-02 5.44340660000E-02 5.79433550000E-02 6.16850420000E-02 6.56746990000E-02 6.99288210000E-02 7.44648280000E-02 7.93010530000E-02 8.44567000000E-02 8.99517870000E-02 9.58070300000E-02 1.02043700000E-01 1.08683400000E-01 1.15747810000E-01 1.23258250000E-01 1.31235290000E-01 1.39698060000E-01 1.48663580000E-01 1.58145830000E-01 1.68154670000E-01 1.78694590000E-01 1.89763290000E-01 2.01350060000E-01 2.13434030000E-01 2.25982370000E-01 2.38948450000E-01 2.52270170000E-01 2.65868580000E-01 2.79646980000E-01 2.93490760000E-01 3.07268180000E-01 3.20832390000E-01 3.34024760000E-01 3.46679590000E-01 3.58630120000E-01 3.69715330000E-01 3.79787090000E-01 3.88716510000E-01 3.96398630000E-01 4.02754150000E-01 4.07727720000E-01 4.11282760000E-01 4.13395140000E-01 4.14050520000E-01 4.13248850000E-01 4.11006490000E-01 4.07354520000E-01 4.02336310000E-01 3.96004960000E-01 3.88421160000E-01 3.79651660000E-01 3.69768450000E-01 3.58848420000E-01 3.46973590000E-01 3.34231410000E-01 3.20715280000E-01 3.06524810000E-01 2.91765880000E-01 2.76550270000E-01 2.60994760000E-01 2.45219900000E-01 2.29348170000E-01 2.13501930000E-01 1.97801080000E-01 1.82360780000E-01 1.67289120000E-01 1.52685120000E-01 1.38636990000E-01 1.25220760000E-01 1.12499420000E-01 1.00522370000E-01 8.93253900000E-02 7.89309240000E-02 6.93487370000E-02 6.05768190000E-02 5.26025070000E-02 4.54037780000E-02 3.89506290000E-02 3.32065040000E-02 2.81297140000E-02 2.36748210000E-02 1.97939380000E-02 1.64379300000E-02 1.35574970000E-02 1.11040900000E-02 9.03093770000E-03 7.29231880000E-03 5.84896930000E-03 4.65806940000E-03 3.67869960000E-03 2.87998040000E-03 2.23540510000E-03 1.72004410000E-03 1.31166940000E-03 9.91041760000E-04 7.41685670000E-04 5.49644740000E-04 4.03226000000E-04 2.92742150000E-04 2.10258770000E-04 1.49352600000E-04 1.04885250000E-04 7.27960340000E-05 4.99156440000E-05 3.38018470000E-05 2.25971210000E-05 1.49074600000E-05 9.70098320000E-06 6.22454440000E-06 3.93633300000E-06 2.45231430000E-06 1.50440150000E-06 9.08361800000E-07 5.39598230000E-07 3.15278150000E-07 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 5D 2 0.05 Wavefunction 3.07258660000E-17 3.36194530000E-17 3.67855410000E-17 4.02497930000E-17 4.40402880000E-17 4.81877500000E-17 5.27257970000E-17 5.76912120000E-17 6.31242400000E-17 6.90689200000E-17 7.55734360000E-17 8.26905110000E-17 9.04778300000E-17 9.89985150000E-17 1.08321630000E-16 1.18522740000E-16 1.29684540000E-16 1.41897480000E-16 1.55260580000E-16 1.69882130000E-16 1.85880660000E-16 2.03385840000E-16 2.22539550000E-16 2.43497060000E-16 2.66428220000E-16 2.91518900000E-16 3.18972490000E-16 3.49011490000E-16 3.81879400000E-16 4.17842620000E-16 4.57192650000E-16 5.00248440000E-16 5.47358980000E-16 5.98906110000E-16 6.55307670000E-16 7.17020800000E-16 7.84545720000E-16 8.58429750000E-16 9.39271760000E-16 1.02772700000E-15 1.12451250000E-15 1.23041260000E-15 1.34628580000E-15 1.47307130000E-15 1.61179680000E-15 1.76358660000E-15 1.92967110000E-15 2.11139650000E-15 2.31023570000E-15 2.52780050000E-15 2.76585430000E-15 3.02632670000E-15 3.31132880000E-15 3.62317090000E-15 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